GLX351322 - 10mM in DMSO , CAS No.835598-94-2

CAS: 835598-94-2 Cat. No.: G426164 Formule: C₂₁H₂₅N₃O₅S Poids moléculaire: 431.51

GRADE & PURITY 10mM in DMSO

Synonyms

4H-​Cyclopenta[b]​thiophene-​3-​carboxylic acid,2-​[[2-​[4-​(2-​furanylcarbonyl)​-​1-​piperazinyl]​acetyl]​amino]​-​5,​6-​dihydro-​,ethyl ester

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

GLX351322 GLX351322 is a NADPH oxidase 4 (NOX4) inhibitor. GLX351322 inhibits hydrogen peroxide production from tetracycline inducible NOX4-overexpressing cells with IC50 of 5 μM.

Targets

NOX4 (Cell-free assay) 5 μM

Specifications

Synonymes

4H-​Cyclopenta[b]​thiophene-​3-​carboxylic acid,2-​[[2-​[4-​(2-​furanylcarbonyl)​-​1-​piperazinyl]​acetyl]​amino]​-​5,​6-​dihydro-​,ethyl ester

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

GLX351322 is a NADPH oxidase 4 (NOX4) inhibitor. GLX351322 inhibits hydrogen peroxide production from tetracycline inducible NOX4-overexpressing cells with IC50 of 5 μM.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Propriétés du produit

ALogP

2.15

hba_count

5

Nombre de HBD

1

Liaison rotative

7

Noms et identifiants

Pubchem Sid

528764612

Sourires canoniques

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4

IUPAC Name

ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

InChIKey

KEVHLTCEMHIJTQ-UHFFFAOYSA-N

INCHI

1S/C21H25N3O5S/c1-2-28-21(27)18-14-5-3-7-16(14)30-19(18)22-17(25)13-23-8-10-24(11-9-23)20(26)15-6-4-12-29-15/h4,6,12H,2-3,5,7-11,13H2,1H3,(H,22,25)

Isomères SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4

Poids moléculaire

431.51

Reaxy-Rn

24609599

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24609599&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: N-piperazineacetamides 2-heteroaryl carboxamides Furoic acid and derivatives N-arylamides Thiophene carboxylic acids and derivatives N-alkylpiperazines Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - N-piperazineacetamide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Thiophene carboxylic acid or derivatives - N-arylamide - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Carboxamide group - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 20
• DMSO (mM) Solubilité maximale: 46.3488679289008
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 431.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 431.151 Da
• Monoisotopic Mass: 431.151 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1